HYOSCYAMINE SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII F2R8V82B84

Structure

InChI Key BXSVDJUWKSRQMD-ITMJLNKNSA-N
Smiles CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2.O.O.O=S(=O)(O)O
InChI
InChI=1S/2C17H23NO3.H2O4S.2H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);2*1H2/t2*13-,14+,15+,16-;;;/m11.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H52N2O12S
Molecular Weight 712.86
AlogP 1.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL3989570
FDA SRS F2R8V82B84
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